About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
Thermodynamics of Materials in Extreme Environments
|
| Presentation Title |
Multiscale Prediction of α-Precipitate Nucleation in β-Stabilized Alloys: CALPHAD-based Model |
| Author(s) |
Astrid Michelle Rodriguez Negron, Aaron E. Tallman, Audrey Torres |
| On-Site Speaker (Planned) |
Astrid Michelle Rodriguez Negron |
| Abstract Scope |
Optimizing aging temperatures for β-stabilized titanium alloys is vital for achieving desired mechanical properties. Intragranular α-precipitates formed during aging treatments are key to this balance, but their nucleation behavior is sensitive to alloy composition and temperature, complicating the establishment of reliable heat treatment protocols. This work introduces a multiscale framework that integrates CALPHAD-based thermodynamic modeling, heterogeneous nucleation theory, and sensitivity analysis to predict precipitation behavior in Ti-Mo systems, serving as a proxy for complex alloys. Two nucleation models are developed: based on Classical Nucleation Theory using PyCalphad and using the Kawin for heterogeneous nucleation. Using ESPEI to evaluate nucleation density and kinetics while refining thermodynamic parameters through both experimental and atomistic data. This framework offers uncertainty-aware predictions, aiding in alloy design and process optimization.
This work is funded by the Department of Energy’s Kansas City National Security Campus, operated by Honeywell Federal Manufacturing & Technologies, LLC, under contract number DE-NA0002839. |